2-oxa-8-azaspiro[4.5]decane hydrochloride

• ChemBase ID: 243958
• Molecular Formular: C8H16ClNO
• Molecular Mass: 177.67174
• Monoisotopic Mass: 177.09204182
• SMILES: N1CCC2(COCC2)CC1.Cl
• Canonical SMILES: N1CCC2(CC1)COCC2.Cl
• InChI: InChI=1S/C8H15NO.ClH/c1-4-9-5-2-8(1)3-6-10-7-8;/h9H,1-7H2;1H
• InChIKey: NAPOHLRYXDDENP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxa-8-azaspiro[4.5]decane hydrochloride
• IUPAC Traditional name: 2-oxa-8-azaspiro[4.5]decane hydrochloride
• Synonyms: 2-oxa-8-azaspiro[4.5]decane hydrochloride

Database IDs

• MDL Number: MFCD11035930
• PubChem SID: 164299868
• PubChem CID: 21955264

CALCULATED PROPERTIES

• LogD (pH = 7.4): -2.6196525
• Log P: 0.13337635
• Molar Refractivity: 40.6534 cm^3
• Polarizability: 16.22448 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0973895

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.098

Product Information

• Purity: 95%